3-(3,4-dimethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]propanamide

C22H30N2O6S — CID 108574284

IUPAC3-(3,4-dimethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCCNS(=O)(=O)c2cc(C)c(C)cc2OC)cc1OC
InChIInChI=1S/C22H30N2O6S/c1-15-12-20(30-5)21(13-16(15)2)31(26,27)24-11-10-23-22(25)9-7-17-6-8-18(28-3)19(14-17)29-4/h6,8,12-14,24H,7,9-11H2,1-5H3,(H,23,25)
InChIKeySJCNEIHANDRUPP-UHFFFAOYSA-N
MW450.56 g/mol
LogP2.36
Rot. Bonds11

About 3-(3,4-dimethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]propanamide

3-(3,4-dimethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]propanamide (PubChem CID 108574284) has the molecular formula C22H30N2O6S and a molecular weight of 450.56 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]propanamide
PubChem CID108574284
Molecular FormulaC22H30N2O6S
Molecular Weight450.56 g/mol
Exact Mass450.18
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCCNS(=O)(=O)c2cc(C)c(C)cc2OC)cc1OC
InChIInChI=1S/C22H30N2O6S/c1-15-12-20(30-5)21(13-16(15)2)31(26,27)24-11-10-23-22(25)9-7-17-6-8-18(28-3)19(14-17)29-4/h6,8,12-14,24H,7,9-11H2,1-5H3,(H,23,25)
InChIKeySJCNEIHANDRUPP-UHFFFAOYSA-N
XLogP2.36
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 108574288
3-(3,4-dimethoxyphenyl)-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide
CID 108574262
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
CID 108574268
3-(4-ethoxy-3-methoxyphenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide
CID 108574295
2-(4-ethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 108573136
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-4-phenoxybutanamide
CID 108573003
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 108573631
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 2950024
N-(3-aminopropyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28754050
3-(3,4-dimethoxyphenyl)-N-hexylpropanamide
CID 19220639
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
2-(1,3-dioxoisoindol-2-yl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 108572092

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]propanamide (CID 108574284) is 3-(3,4-dimethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]propanamide is COc1ccc(CCC(=O)NCCNS(=O)(=O)c2cc(C)c(C)cc2OC)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]propanamide?
The InChIKey is SJCNEIHANDRUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O6S/c1-15-12-20(30-5)21(13-16(15)2)31(26,27)24-11-10-23-22(25)9-7-17-6-8-18(28-3)19(14-17)29-4/h6,8,12-14,24H,7,9-11H2,1-5H3,(H,23,25).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]propanamide has a molecular weight of 450.56 g/mol, XLogP of 2.36, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]propanamide is sourced from PubChem (CID 108574284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).